4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

C16H21N3O2 — CID 78835890

IUPAC4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCN1CCCN(C(=O)C2CC(=O)Nc3ccccc32)CC1
InChIInChI=1S/C16H21N3O2/c1-18-7-4-8-19(10-9-18)16(21)13-11-15(20)17-14-6-3-2-5-12(13)14/h2-3,5-6,13H,4,7-11H2,1H3,(H,17,20)
InChIKeyOPNGFFKMAWHJQO-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.28
Rot. Bonds1

About 4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 78835890) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID78835890
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCN1CCCN(C(=O)C2CC(=O)Nc3ccccc32)CC1
InChIInChI=1S/C16H21N3O2/c1-18-7-4-8-19(10-9-18)16(21)13-11-15(20)17-14-6-3-2-5-12(13)14/h2-3,5-6,13H,4,7-11H2,1H3,(H,17,20)
InChIKeyOPNGFFKMAWHJQO-UHFFFAOYSA-N
XLogP1.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (CID 78835890) is 4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is CN1CCCN(C(=O)C2CC(=O)Nc3ccccc32)CC1.
What is the InChIKey of 4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is OPNGFFKMAWHJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-18-7-4-8-19(10-9-18)16(21)13-11-15(20)17-14-6-3-2-5-12(13)14/h2-3,5-6,13H,4,7-11H2,1H3,(H,17,20).
What are the key properties of 4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 287.36 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 78835890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).